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Ecastolol

CAT: 0931-T11148-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T11148-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77695-52-4
Target
Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9989
Bioactivity
Ecastolol has anti-angina activity and is an adrenergic receptor antagonist.
Smiles
O(CC(CNCCC1=CC(OC)=C(OC)C=C1)O)C2=C(C=C(NC(CCC)=O)C=C2)C3=CC=NO3
Molecular Formula
C26H33N3O6
Molecular Weight
483.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ecastolol
CAS Number77695-52-4
PubChem CID208905
IUPAC NameN-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-3-(1,2-oxazol-5-yl)phenyl]butanamide
Molecular FormulaC26H33N3O6
Molecular Weight483.6
XLogP2.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Heavy Atom Count35
Formal Charge0
Complexity612
SMILES
CCCC(=O)NC1=CC(=C(C=C1)OCC(CNCCC2=CC(=C(C=C2)OC)OC)O)C3=CC=NO3
InChI
InChI=1S/C26H33N3O6/c1-4-5-26(31)29-19-7-9-22(21(15-19)23-11-13-28-35-23)34-17-20(30)16-27-12-10-18-6-8-24(32-2)25(14-18)33-3/h6-9,11,13-15,20,27,30H,4-5,10,12,16-17H2,1-3H3,(H,29,31)
InChIKey
CGUIWXDBHIFQJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ecastolol
CAS: 77695-52-4
CID: 208905
Formula: C26H33N3O6
MW: 483.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.6
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count14
Exact Mass483.23693578
Monoisotopic Mass483.23693578
Topological Polar Surface Area115 Ų
Heavy Atom Count35
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3844298-01Ecastolol
A19846-100Ecastolol 100mg
A19846-25Ecastolol 25mg
A19846-10Ecastolol 10mg
A19846-50Ecastolol 50mg
A19846-5Ecastolol 5mg
A19846-1Ecastolol 1mg
A19846-10mM-DEcastolol 10mM * 1mL in DMSO

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